9-butyl-8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-butyl-8-(2-chloranyl-3,4,5-trimethoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-butyl-8-(2-chloro-3,4,5-trimethoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-butyl-8-[(2-chloro-3,4,5-trimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-butyl-8-(2-chloro-3,4,5-trimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-butyl-8-[(2-chloro-3,4,5-trimethoxy-phenyl)thio]purin-6-yl]amine Formula: C18H22ClN5O3S MolecularWeight: 423.91698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C(=C(C(=C3)OC)OC)OC)Cl

Isomeric SMILES

CCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C(=C(C(=C3)OC)OC)OC)Cl

InChI

InChI=1S/C18H22ClN5O3S/c1-5-6-7-24-17-13(16(20)21-9-22-17)23-18(24)28-11-8-10(25-2)14(26-3)15(27-4)12(11)19/h8-9H,5-7H2,1-4H3,(H2,20,21,22)